3,6-dihydro-2H-pyran-4-carboxamide

C6H9NO2 — CID 118467327

IUPAC3,6-dihydro-2H-pyran-4-carboxamide
SMILESNC(=O)C1=CCOCC1
InChIInChI=1S/C6H9NO2/c7-6(8)5-1-3-9-4-2-5/h1H,2-4H2,(H2,7,8)
InChIKeyHUXKODIGDNNMSJ-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.18
Rot. Bonds1

About 3,6-dihydro-2H-pyran-4-carboxamide

3,6-dihydro-2H-pyran-4-carboxamide (PubChem CID 118467327) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-4-carboxamide.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-4-carboxamide
PubChem CID118467327
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3,6-dihydro-2H-pyran-4-carboxamide
SMILESNC(=O)C1=CCOCC1
InChIInChI=1S/C6H9NO2/c7-6(8)5-1-3-9-4-2-5/h1H,2-4H2,(H2,7,8)
InChIKeyHUXKODIGDNNMSJ-UHFFFAOYSA-N
XLogP-0.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,6-dihydro-2H-pyran-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-4-carboxamide?
The IUPAC name of 3,6-dihydro-2H-pyran-4-carboxamide (CID 118467327) is 3,6-dihydro-2H-pyran-4-carboxamide.
What is the SMILES notation for 3,6-dihydro-2H-pyran-4-carboxamide?
The canonical SMILES for 3,6-dihydro-2H-pyran-4-carboxamide is NC(=O)C1=CCOCC1.
What is the InChIKey of 3,6-dihydro-2H-pyran-4-carboxamide?
The InChIKey is HUXKODIGDNNMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c7-6(8)5-1-3-9-4-2-5/h1H,2-4H2,(H2,7,8).
What are the key properties of 3,6-dihydro-2H-pyran-4-carboxamide?
3,6-dihydro-2H-pyran-4-carboxamide has a molecular weight of 127.14 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-4-carboxamide is sourced from PubChem (CID 118467327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).